methanesulfonic acid;3-morpholin-4-ylbutan-1-ol

C9H21NO5S — CID 86743263

IUPACmethanesulfonic acid;3-morpholin-4-ylbutan-1-ol
SMILESCC(CCO)N1CCOCC1.CS(=O)(=O)O
InChIInChI=1S/C8H17NO2.CH4O3S/c1-8(2-5-10)9-3-6-11-7-4-9;1-5(2,3)4/h8,10H,2-7H2,1H3;1H3,(H,2,3,4)
InChIKeyOPGSWSSVWVIGHK-UHFFFAOYSA-N
MW255.34 g/mol
LogP-0.41
Rot. Bonds3

About methanesulfonic acid;3-morpholin-4-ylbutan-1-ol

methanesulfonic acid;3-morpholin-4-ylbutan-1-ol (PubChem CID 86743263) has the molecular formula C9H21NO5S and a molecular weight of 255.34 g/mol. Its IUPAC name is methanesulfonic acid;3-morpholin-4-ylbutan-1-ol.

Molecular Properties

Compound Namemethanesulfonic acid;3-morpholin-4-ylbutan-1-ol
PubChem CID86743263
Molecular FormulaC9H21NO5S
Molecular Weight255.34 g/mol
Exact Mass255.11
IUPAC Namemethanesulfonic acid;3-morpholin-4-ylbutan-1-ol
SMILESCC(CCO)N1CCOCC1.CS(=O)(=O)O
InChIInChI=1S/C8H17NO2.CH4O3S/c1-8(2-5-10)9-3-6-11-7-4-9;1-5(2,3)4/h8,10H,2-7H2,1H3;1H3,(H,2,3,4)
InChIKeyOPGSWSSVWVIGHK-UHFFFAOYSA-N
XLogP-0.41
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

ethane;2-morpholin-4-ylpropan-1-ol
CID 142923575
3-morpholin-4-ylbutyl methanesulfonate
CID 54519605
4-[(2S)-hexan-2-yl]morpholine
CID 124506548
3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
CID 104550741
[4-(2-morpholin-4-ylpropyl)phenyl]methanesulfonic acid
CID 159021674
4-hydroxy-2-morpholin-4-ylbutanal
CID 87837145
3,3-dimorpholin-4-ylpropane-1-sulfonic acid
CID 174593846
4-(1-methylsulfinylpropan-2-yl)morpholine
CID 173186907
N-(2-morpholin-4-ylpropyl)hexan-2-amine
CID 115708396
2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide
CID 55621415
2-amino-N-(2-morpholin-4-ylpropyl)acetamide
CID 83620199
N-(4-hydroxybutan-2-yl)-2-morpholin-4-ylacetamide
CID 110011691

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;3-morpholin-4-ylbutan-1-ol?
The IUPAC name of methanesulfonic acid;3-morpholin-4-ylbutan-1-ol (CID 86743263) is methanesulfonic acid;3-morpholin-4-ylbutan-1-ol.
What is the SMILES notation for methanesulfonic acid;3-morpholin-4-ylbutan-1-ol?
The canonical SMILES for methanesulfonic acid;3-morpholin-4-ylbutan-1-ol is CC(CCO)N1CCOCC1.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;3-morpholin-4-ylbutan-1-ol?
The InChIKey is OPGSWSSVWVIGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.CH4O3S/c1-8(2-5-10)9-3-6-11-7-4-9;1-5(2,3)4/h8,10H,2-7H2,1H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;3-morpholin-4-ylbutan-1-ol?
methanesulfonic acid;3-morpholin-4-ylbutan-1-ol has a molecular weight of 255.34 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;3-morpholin-4-ylbutan-1-ol is sourced from PubChem (CID 86743263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).